N-[(5-iodo-1,3-thiazol-2-yl)methyl]-1-[(2R)-4-methylmorpholin-2-yl]methanamine

C10H16IN3OS — CID 124873009

IUPACN-[(5-iodo-1,3-thiazol-2-yl)methyl]-1-[(2R)-4-methylmorpholin-2-yl]methanamine
SMILESCN1CCO[C@H](CNCc2ncc(I)s2)C1
InChIInChI=1S/C10H16IN3OS/c1-14-2-3-15-8(7-14)4-12-6-10-13-5-9(11)16-10/h5,8,12H,2-4,6-7H2,1H3/t8-/m1/s1
InChIKeyDTPKRNVVLQBLKC-MRVPVSSYSA-N
MW353.23 g/mol
LogP1.17
Rot. Bonds4

About N-[(5-iodo-1,3-thiazol-2-yl)methyl]-1-[(2R)-4-methylmorpholin-2-yl]methanamine

N-[(5-iodo-1,3-thiazol-2-yl)methyl]-1-[(2R)-4-methylmorpholin-2-yl]methanamine (PubChem CID 124873009) has the molecular formula C10H16IN3OS and a molecular weight of 353.23 g/mol. Its IUPAC name is N-[(5-iodo-1,3-thiazol-2-yl)methyl]-1-[(2R)-4-methylmorpholin-2-yl]methanamine.

Molecular Properties

Compound NameN-[(5-iodo-1,3-thiazol-2-yl)methyl]-1-[(2R)-4-methylmorpholin-2-yl]methanamine
PubChem CID124873009
Molecular FormulaC10H16IN3OS
Molecular Weight353.23 g/mol
Exact Mass353.01
IUPAC NameN-[(5-iodo-1,3-thiazol-2-yl)methyl]-1-[(2R)-4-methylmorpholin-2-yl]methanamine
SMILESCN1CCO[C@H](CNCc2ncc(I)s2)C1
InChIInChI=1S/C10H16IN3OS/c1-14-2-3-15-8(7-14)4-12-6-10-13-5-9(11)16-10/h5,8,12H,2-4,6-7H2,1H3/t8-/m1/s1
InChIKeyDTPKRNVVLQBLKC-MRVPVSSYSA-N
XLogP1.17
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.23
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze N-[(5-iodo-1,3-thiazol-2-yl)methyl]-1-[(2R)-4-methylmorpholin-2-yl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(2R)-4-methylmorpholin-2-yl]-N-[(2-phenyl-1,3-thiazol-5-yl)methyl]methanamine
CID 95339003
N-[(5-chlorothiophen-2-yl)methyl]-1-[(2S)-4-methylmorpholin-2-yl]methanamine
CID 95598780
N-[(5-bromothiophen-2-yl)methyl]-1-[(2R)-4-methylmorpholin-2-yl]methanamine
CID 95159793
1-(4-methylmorpholin-2-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine
CID 79032822
1-(4-methylmorpholin-2-yl)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]methanamine
CID 78945276
N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-1-(4-methylmorpholin-2-yl)methanamine
CID 79171394
5-fluoro-N-[[(2S)-4-methylmorpholin-2-yl]methyl]pyrimidin-2-amine
CID 124594370
1-(4-methylmorpholin-2-yl)-N-[(3-propan-2-ylimidazol-4-yl)methyl]methanamine
CID 79082730
N-[(5-chlorofuran-2-yl)methyl]-1-(4-methylmorpholin-2-yl)methanamine
CID 78943077
[5-[[(4-methylmorpholin-2-yl)methylamino]methyl]furan-2-yl]methanol
CID 79032869
N-[(3-methylfuran-2-yl)methyl]-1-(4-methylmorpholin-2-yl)methanamine
CID 115653459
N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-1-[(2S)-4-methylmorpholin-2-yl]methanamine
CID 95303561

Frequently Asked Questions

What is the IUPAC name of N-[(5-iodo-1,3-thiazol-2-yl)methyl]-1-[(2R)-4-methylmorpholin-2-yl]methanamine?
The IUPAC name of N-[(5-iodo-1,3-thiazol-2-yl)methyl]-1-[(2R)-4-methylmorpholin-2-yl]methanamine (CID 124873009) is N-[(5-iodo-1,3-thiazol-2-yl)methyl]-1-[(2R)-4-methylmorpholin-2-yl]methanamine.
What is the SMILES notation for N-[(5-iodo-1,3-thiazol-2-yl)methyl]-1-[(2R)-4-methylmorpholin-2-yl]methanamine?
The canonical SMILES for N-[(5-iodo-1,3-thiazol-2-yl)methyl]-1-[(2R)-4-methylmorpholin-2-yl]methanamine is CN1CCO[C@H](CNCc2ncc(I)s2)C1.
What is the InChIKey of N-[(5-iodo-1,3-thiazol-2-yl)methyl]-1-[(2R)-4-methylmorpholin-2-yl]methanamine?
The InChIKey is DTPKRNVVLQBLKC-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H16IN3OS/c1-14-2-3-15-8(7-14)4-12-6-10-13-5-9(11)16-10/h5,8,12H,2-4,6-7H2,1H3/t8-/m1/s1.
What are the key properties of N-[(5-iodo-1,3-thiazol-2-yl)methyl]-1-[(2R)-4-methylmorpholin-2-yl]methanamine?
N-[(5-iodo-1,3-thiazol-2-yl)methyl]-1-[(2R)-4-methylmorpholin-2-yl]methanamine has a molecular weight of 353.23 g/mol, XLogP of 1.17, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-iodo-1,3-thiazol-2-yl)methyl]-1-[(2R)-4-methylmorpholin-2-yl]methanamine is sourced from PubChem (CID 124873009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).